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First-principles study of the electronic and optical properties of a new metallic MoAlB

The structural, elastic, electronic and optical properties of MoAlB were investigated by first-principles calculations. The hardness of MoAlB is 12.71 GPa, which is relatively softer and easily machinable compared to the other borides. The analysis of the band structure and density (DOS) of states i...

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Detalles Bibliográficos
Autores principales:	Li, Xiaohong, Cui, Hongling, Zhang, Ruizhou
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5177879/ https://www.ncbi.nlm.nih.gov/pubmed/28004833 http://dx.doi.org/10.1038/srep39790

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